PDB ligand accession: 3CB
DrugBank: DB04593
PubChem:
ChEMBL: n/a
InChI Key: UBGNMISWPGURDN-XORNHQRDSA-N
SMILES: CCC(C)C(C(=O)NC(CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1WSS | Download | Experimental | e1wssH1 | cradle loop barrel | LigPlot |